4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide

C13H11N5O — CID 138857529

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H11N5O/c14-18-13(19)9-5-3-8(4-6-9)11-16-10-2-1-7-15-12(10)17-11/h1-7H,14H2,(H,18,19)(H,15,16,17)
InChIKeyXKFQHYAGRQASDB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.23
Rot. Bonds2

About 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide

4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide (PubChem CID 138857529) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
PubChem CID138857529
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H11N5O/c14-18-13(19)9-5-3-8(4-6-9)11-16-10-2-1-7-15-12(10)17-11/h1-7H,14H2,(H,18,19)(H,15,16,17)
InChIKeyXKFQHYAGRQASDB-UHFFFAOYSA-N
XLogP1.23
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide (CID 138857529) is 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide is NNC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide?
The InChIKey is XKFQHYAGRQASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-18-13(19)9-5-3-8(4-6-9)11-16-10-2-1-7-15-12(10)17-11/h1-7H,14H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide?
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide has a molecular weight of 253.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide is sourced from PubChem (CID 138857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).